CAS RN: 84907-98-2
D-Aspartic acid, 4-(1,1-dimethylethyl) 1-methyl ester
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250815 | 1g / 5g / 25g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS84907-98-2
- Purity/Analytical Methods: >99.0%
84907-98-2 / 4-O-tert-butyl 1-O-methyl 2-aminobutanedioate
Basic Information
CAS
84907-98-2
Multi CAS
Yes
Molecular Formula
C9H17NO4
Molecular Weight
203.240000
Exact Mass
203.115758
InChI
InChI=1S/C9H17NO4/c1-9(2,3)14-7(11)5-6(10)8(12)13-4/h6H,5,10H2,1-4H3
InChIKey
CWARULQNYJKOMP-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Fraction Csp3
0.78
Rotatable bonds
3
H-bond acceptors
5
H-bond donors
1
Molar refractivity
50.45
TPSA
78.62
LogP / Solubility
WLOGP
0.22
MLOGP
0.19
Consensus LogP
0.14
Log S (ESOL)
-1.04
Class (ESOL)
Soluble
Log S (Ali)
-1.38
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.52
Class (SILICOS-IT)
Soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
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